CID 3076382

N-methyl-2-(2-imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanesulphonamide hydrochloride

Structural Information

Molecular Formula
C11H12F3N3O3S2
SMILES
CC1=CC2=C(C=C1OC(F)(F)F)SC(=N)N2CCS(=O)(=O)N
InChI
InChI=1S/C11H12F3N3O3S2/c1-6-4-7-9(5-8(6)20-11(12,13)14)21-10(15)17(7)2-3-22(16,18)19/h4-5,15H,2-3H2,1H3,(H2,16,18,19)
InChIKey
NHOXKCDEWOVEGN-UHFFFAOYSA-N
Compound name
2-[2-imino-5-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.02722 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.03450 171.7
[M+Na]+ 378.01644 182.9
[M-H]- 354.01994 171.1
[M+NH4]+ 373.06104 186.4
[M+K]+ 393.99038 176.4
[M+H-H2O]+ 338.02448 163.6
[M+HCOO]- 400.02542 181.4
[M+CH3COO]- 414.04107 211.4
[M+Na-2H]- 376.00189 174.3
[M]+ 355.02667 173.7
[M]- 355.02777 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.